methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate

C14H9F3O2 — CID 134635149

IUPACmethyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
SMILESCOC(=O)c1cc(-c2cccc(F)c2F)ccc1F
InChIInChI=1S/C14H9F3O2/c1-19-14(18)10-7-8(5-6-11(10)15)9-3-2-4-12(16)13(9)17/h2-7H,1H3
InChIKeyXFHUHLBZKKWIPH-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.56
Rot. Bonds2

About methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate

methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate (PubChem CID 134635149) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
PubChem CID134635149
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Namemethyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
SMILESCOC(=O)c1cc(-c2cccc(F)c2F)ccc1F
InChIInChI=1S/C14H9F3O2/c1-19-14(18)10-7-8(5-6-11(10)15)9-3-2-4-12(16)13(9)17/h2-7H,1H3
InChIKeyXFHUHLBZKKWIPH-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride
CID 118806458
methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate
CID 53218107
methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate
CID 134635154
methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate
CID 134638044
methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
CID 134635148
methyl 2-amino-5-(2-fluorophenyl)benzoate
CID 82572889
methyl 2-fluoro-5-[3-(trifluoromethyl)phenyl]benzoate
CID 75488127
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
2-(4-fluoro-3-methoxycarbonylphenyl)-5-methoxybenzoic acid
CID 53228031
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate
CID 134623804
methyl 2-fluoro-5-(3-isocyanatophenyl)benzoate
CID 169353563

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate?
The IUPAC name of methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate (CID 134635149) is methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate.
What is the SMILES notation for methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate?
The canonical SMILES for methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate is COC(=O)c1cc(-c2cccc(F)c2F)ccc1F.
What is the InChIKey of methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate?
The InChIKey is XFHUHLBZKKWIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c1-19-14(18)10-7-8(5-6-11(10)15)9-3-2-4-12(16)13(9)17/h2-7H,1H3.
What are the key properties of methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate?
methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate has a molecular weight of 266.22 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate is sourced from PubChem (CID 134635149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).